N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide

C20H25NO2 — CID 110437458

IUPACN-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(OC(C)(C)C)cc2)c1C
InChIInChI=1S/C20H25NO2/c1-14-7-6-8-18(15(14)2)21-19(22)13-16-9-11-17(12-10-16)23-20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyMGBMTBOOZRQHHE-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.66
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide (PubChem CID 110437458) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
PubChem CID110437458
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
SMILESCc1cccc(NC(=O)Cc2ccc(OC(C)(C)C)cc2)c1C
InChIInChI=1S/C20H25NO2/c1-14-7-6-8-18(15(14)2)21-19(22)13-16-9-11-17(12-10-16)23-20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22)
InChIKeyMGBMTBOOZRQHHE-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762816
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide (CID 110437458) is N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide is Cc1cccc(NC(=O)Cc2ccc(OC(C)(C)C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
The InChIKey is MGBMTBOOZRQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-7-6-8-18(15(14)2)21-19(22)13-16-9-11-17(12-10-16)23-20(3,4)5/h6-12H,13H2,1-5H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 110437458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).